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Compound Detail

CHEMBL4463457

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COc1cc(C(=O)c2c[nH]c(-c3c[nH]c4c(OCc5ccccc5)cccc34)n2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463457
Phase Preclinical
Structure Type MOL
InChI Key MQLKANMYCWXQRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

483.5
MW (Da)
5.39
ALogP
6
HBA
2
HBD
98.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N3O5
MW 483.52
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
31251599 10.1021/acs.jmedchem.9b00706 M14 1
31251599 10.1021/acs.jmedchem.9b00706 A-375 1
31251599 10.1021/acs.jmedchem.9b00706 WM164 1

Data from ChEMBL 36 via Core Engine